N-ethyl-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropan-2-amine

C19H26N2 — CID 62602849

IUPACN-ethyl-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropan-2-amine
SMILESCCNC(Cc1ccc(C(C)C)cc1)Cc1cccnc1
InChIInChI=1S/C19H26N2/c1-4-21-19(13-17-6-5-11-20-14-17)12-16-7-9-18(10-8-16)15(2)3/h5-11,14-15,19,21H,4,12-13H2,1-3H3
InChIKeyRXOZDLXXFQSUQN-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.97
Rot. Bonds7

About N-ethyl-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropan-2-amine

N-ethyl-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropan-2-amine (PubChem CID 62602849) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-ethyl-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropan-2-amine
PubChem CID62602849
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-ethyl-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropan-2-amine
SMILESCCNC(Cc1ccc(C(C)C)cc1)Cc1cccnc1
InChIInChI=1S/C19H26N2/c1-4-21-19(13-17-6-5-11-20-14-17)12-16-7-9-18(10-8-16)15(2)3/h5-11,14-15,19,21H,4,12-13H2,1-3H3
InChIKeyRXOZDLXXFQSUQN-UHFFFAOYSA-N
XLogP3.97
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 62551023
1-(2-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 55086568
1-(3-bromophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 62551546
1-(2,3-dichlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 107308542
N-ethyl-1-ethylsulfanyl-3-pyridin-3-ylpropan-2-amine
CID 104736340
N-ethyl-1-pyridin-3-ylpent-4-en-2-amine
CID 62551025
1-(2-chloro-4-methylphenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 106867485
1-(4-chlorophenyl)sulfanyl-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 104736457
1-(3-chloro-2-fluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 104736743
N-ethyl-1-propylsulfanyl-3-pyridin-3-ylpropan-2-amine
CID 104736344
1-(4-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62551911
N-ethyl-1-(1-methylpyrazol-3-yl)-3-pyridin-3-ylpropan-2-amine
CID 82876645

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropan-2-amine?
The IUPAC name of N-ethyl-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropan-2-amine (CID 62602849) is N-ethyl-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropan-2-amine.
What is the SMILES notation for N-ethyl-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropan-2-amine?
The canonical SMILES for N-ethyl-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropan-2-amine is CCNC(Cc1ccc(C(C)C)cc1)Cc1cccnc1.
What is the InChIKey of N-ethyl-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropan-2-amine?
The InChIKey is RXOZDLXXFQSUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-4-21-19(13-17-6-5-11-20-14-17)12-16-7-9-18(10-8-16)15(2)3/h5-11,14-15,19,21H,4,12-13H2,1-3H3.
What are the key properties of N-ethyl-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropan-2-amine?
N-ethyl-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropan-2-amine has a molecular weight of 282.43 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropan-2-amine is sourced from PubChem (CID 62602849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).